6AY0

Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-02
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.808, 66.532, 70.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 2.600
R-factor	0.1953
Rwork	0.192
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1phm
RMSD bond length	0.014
RMSD bond angle	1.812
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.063	0.051	0.129
Rmeas	0.069	0.057	0.142
Rpim	0.028	0.025	0.057
Total number of observations	58408
Number of reflections	9437	559	349
<I/σ(I)>	19.9
Completeness [%]	94.5	97.6	69
Redundancy	6.2	5	5.5
CC(1/2)		0.996	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	19-24% PEG 4000, Tris HCL